SCHEMBL24656165

SCHEMBL24656165

CC(C)(C)c1ccn2ncc(F)c2c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
ALOX5AP P20292 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
PIK3CA P42336 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SCN5A Q14524 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26722301 0.83 SMPD3 (0.38) ALOX5APPOLBGAA
SCHEMBL18352906 0.81 SCN5A (0.38) KCNH2SCN5A
SCHEMBL26719772 0.81 PIK3CA (0.34) KCNH2PIK3CAPOLBSCN5APIK3CD
SCHEMBL26722310 0.79 ALDH1A1 (0.35) IRAK4
SCHEMBL22955471 0.77 CDK2 (0.38) IRAK4PIK3CAPIK3CDPIK3CB
SCHEMBL19631426 0.77 PIK3CA (0.31) PIK3CAPIK3CDPIK3CB
SCHEMBL23872949 0.74 TDP1 (0.40)
SCHEMBL22822494 0.74 EPHB3 (0.44) GAA
SCHEMBL22955512 0.73 TGFBR1 (0.49)
SCHEMBL29026988 0.73 PIK3CA (0.40) PIK3CASCN5APIK3CDPIK3CB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KCNH2 2603/4885ALOX5AP 508/4885IRAK4 1827/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KCNH2 2603/4885ALOX5AP 508/4885IRAK4 1827/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KCNH2 2603/4885ALOX5AP 508/4885IRAK4 1827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.